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Structure paper

TitleM. tuberculosis meets European lead factory:Identification and structural characterization of novel Rv0183 inhibitors using X-ray crystallography
Journal, issue, pagesDisease and Therapeutics, Vol. 1, Page 100002-, Year 2025
Publish dateJun 4, 2025 (structure data deposition date)
AuthorsRiegler-Berket, L. / Godl, L. / Polidori, N. / Aschauer, P. / Grininger, C. / Prosser, G. / Lichtenegger, J. / Sagmeister, T. / Parigger, L. / Gruber, C.C. ...Riegler-Berket, L. / Godl, L. / Polidori, N. / Aschauer, P. / Grininger, C. / Prosser, G. / Lichtenegger, J. / Sagmeister, T. / Parigger, L. / Gruber, C.C. / Reiling, N. / Oberer, M.
External linksDisease and Therapeutics / Search PubMed
MethodsX-ray diffraction
Resolution1.25 - 1.8 Å
Structure data

PDB-9rf2:
M. tuberculosis meets European Lead Factory: identification and structural characterization of novel Rv0183 inhibitors using X-ray crystallography: ELF5
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-9rf5:
M. tuberculosis meets European Lead Factory: identification and structural characterization of novel Rv0183 inhibitors using X-ray crystallography: ELF8
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9rhw:
M. tuberculosis meets European Lead Factory: identification and structural characterization of novel Rv0183 inhibitors using X-ray crystallography: ELF1
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals


ChemComp, No image

ChemComp-8KE:
Unknown entry


ChemComp, No image

ChemComp-I3F:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-8D5:
Unknown entry

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER


ChemComp, No image

ChemComp-7WW:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-EOH:
ETHANOL

Source
  • mycobacterium tuberculosis h37rv (bacteria)
KeywordsHYDROLASE / Rv0183 / inhibitor / Monoacylglycerol lipase

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